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The Effect of CuO on the Thermal Behavior of the High-Energy Combustion Agent of the Al/MnO2 System
Published 2019-01-01“…Then, in order to find out the underlying reasons, CuO effects on the thermal behavior of Al/MnO2 system were analyzed via theoretical calculations of Gibbs free energy and enthalpy changes. In addition, field emission scanning electron microscopy (FE-SEM) that could characterize the mixture morphology and thermogravimetric-differential scanning calorimetry (TG-DSC) that could indentify the exothermic and endothermic reactions and measure mass change were carried out. …”
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42
Protection of Brass in HCl Solution by L-Cysteine and Cationic Surfactant
Published 2018-01-01“…Adsorption of cysteine in hydrochloric acid solution obeys the Langmuir adsorption isotherm. Also, Gibbs free energy of adsorption has a value of −31.5 kJ/mol and indicates strong adsorption of cysteine on the electrode surface.…”
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43
SNP Analysis of the SOD1 gene involved in Amyotrophic Lateral Sclerosis (ALS)
Published 2025-12-01“…The variants with most pathogenicity and clinical significance were further analyzed for stability and found to destabilize the protein structure based on Gibbs Free Energy (ddG) values. These 10 variants were modelled and validated, found occurring mostly in the conserved regions. …”
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44
Codeine 3-O-demethylase catalyzed biotransformation of morphinan alkaloids in Escherichia coli: site directed mutagenesis of terminal residues improves enzyme expression, stability...
Published 2025-01-01“…Statistical analysis of biotransformation yield, enzyme expression and stability, predicted using changes in Gibbs free energy (ΔΔG) with deep-learning-based model DDmut, suggested that altered enzyme stability and/or expression of soluble protein may contribute to the observed improvements in biotransformation. …”
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45
Heat Capacities and Thermodynamic Properties of Pinnoite and Inderite
Published 2020-01-01“…On the basis of molar heat capacities (Cp,m) of Pin and Ind, the thermodynamic functions of entropy, enthalpy, and Gibbs free energy at the temperature of 1 K interval for the two minerals were obtained for the first time.…”
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46
Bio-waste to environmental purifier: Application of potato peel for acid red 73 adsorption from leather dyeing effluent
Published 2025-06-01“…The equilibrium adsorption capacity was 135.34 ± 1.59 mg/g at 298 K, which was decreased to 125.34 ± 1.81, 114.27 ± 1.43, and 104.08 ± 1.53 mg/g at 308, 318 and 328 K, respectively. Negative Gibbs free energy (ΔG) revealed that adsorption of AR 73 dye on PP was spontaneous. …”
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47
Research on Sulfate Attack Mechanism of Cement Concrete Based on Chemical Thermodynamics
Published 2020-01-01“…Based on principles of chemical thermodynamics, the relationship between temperature and the Gibbs free energy of erosion products generated during the sulfate attack on cement concrete was deduced. …”
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48
Curcumin as a potential inhibitor of TGFβ3 computational insights for breast cancer therapy
Published 2025-01-01“…Furthermore, principal component, Gibbs free energy landscape and MMPBSA analysis, signifying system stability. …”
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49
Thermodynamics of Cadmium Sorption on Different Soils of West Bengal, India
Published 2014-01-01“…Thermodynamic parameters, namely, thermodynamics equilibrium constant at a particular temperature T (KT0), Gibbs free energy at a particular temperature T (ΔGT0), and change of enthalpy (ΔH0) and change of entropy at temperature T (ΔST0), were also determined by applying sorption value and concentrations of Cd in equilibrium solution within the temperature range. …”
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50
Synthesis and Characterization of Hydroxyapatite- (HAP-) Clay Composites and Adsorption Studies on Methylene Blue for Water Treatment
Published 2021-01-01“…The thermodynamical modeling predicts that based on the value of the change in enthalpy and Gibbs free energy the process was exothermic and spontaneous. …”
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51
Simulations of pH and thermal effects on SARS-CoV-2 spike glycoprotein
Published 2025-02-01“…This effect is primarily pH-driven at extreme acidity and thermo-driven at moderate pH. 3) The Gibbs free energy landscape reveals that pH as the main driver of structural changes. 4) The parametrized methods enable the predictions of the S-protein properties at any reasonable pH and thermal conditions without explicit MD simulations.…”
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52
Characterization, Dissolution, and Solubility of Lead Hydroxypyromorphite [Pb5(PO4)3OH] at 25–45°C
Published 2015-01-01“…From the obtained solubility data for the dissolution at initial pH 2.00 and 25°C, the Gibbs free energy of formation [ΔGfo] for Pb5(PO4)3OH was calculated to be −3796.71 kJ/mol (−3795.55~−3797.78 kJ/mol).…”
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53
Stability of reinforcements (CrB2/TiB2) and lubricants (C/MoS2) in Cu matrix during the sintering process
Published 2025-01-01“…Both CrB2 and TiB2 can co-exist with C in the Cu matrix, but react with MoS2 to form Cu2S, Mo2S3 as well as ternary CuCrS2 and CuTi2S4 phase, since the negative Gibbs free energy change of the corresponding reaction equations. …”
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54
Preparation, Characterization, and Application of Metakaolin-Based Geopolymer for Removal of Methylene Blue from Aqueous Solution
Published 2019-01-01“…The thermodynamic parameters, namely, Gibbs free energy (ΔG°), enthalpy (ΔH°), and entropy (ΔS°), were determined. …”
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55
Solubility and thermodynamic analysis of amlodipine besylate in mixtures of propylene glycol and 1-propanol from 293.2 to 323.2 K
Published 2025-06-01“…In the realm of thermodynamics, the apparent parameters, namely enthalpy, entropy, and Gibbs free energy, pertinent to the dissolution processes of ADB were computed. …”
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56
Dissolution and Solubility Product of Cd-Fluorapatite [Cd5(PO4)3F] at pH of 2–9 and 25–45°C
Published 2018-01-01“…Based on the log Ksp values obtained at an initial pH of 2 and 25°C, the Gibbs free energy of formation for Cd5(PO4)3F (ΔGf0) was calculated to be −4065.76 kJ/mol (−4064.11∼−4068.23 kJ/mol). …”
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57
Adsorptive Removal of Malachite Green Dye onto Coal-Associated Soil and Conditions Optimization
Published 2021-01-01“…The thermodynamic parameters Gibbs free energy (ΔG°), entropy (ΔS°), and enthalpy (ΔH°) were endorsing that the present adsorption system was exothermic. …”
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58
Computational Modeling and Experimental Investigation of CO<sub>2</sub>-Hydrocarbon System Within Cross-Scale Porous Media
Published 2025-01-01“…Unlike conventional Gibbs free energy-based models, this approach effectively accounts for confinement-induced deviations in phase equilibrium, ensuring improved predictive accuracy for nanoscale reservoirs. …”
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59
Thermodynamic and kinetics analysis of the sulfur-fixed roasting of antimony sulfide using ZnO as sulfur-fixing agent
Published 2018-01-01“…By calculating the thermodynamics of the reactions, we can conclude that the Gibbs Free Energy Change (ΔGθ) of roasting reaction is below -60 kJ/mol and the predominance areas of Sb2O3 and ZnS are wide and right shifting with the temperature increase, which all indicates that this method is theoretically feasible. …”
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60
Influence of iron ore concentrate on the characteristics of sintering and reduction of sinter
Published 2020-01-01“…The main reason for this was that the Gibbs free energy of calcium ferrite and dicalcium ferrite (2CaO·SiO2) was higher than that of calcium silicate in the temperature ranges of 400-1600 K. …”
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